Structure Information
Structure

Compound Identification

SMILES

CC(=O)C12OCCC3(OC3C(=O)OC[C@]34CCC(C)=C[C@H]3O[C@@H]3C[C@@H](OC(=O)\C=C/C=C/1)[C@@]4(C)C31CO1)C2O

InChIKey

InChIKey=SJCPVUVBUQDGKN-RQRCLWAKSA-N

Formula

C29H34O10

Mass

542.581

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Trichothecenes

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Trichothecene skeleton - Macrolide - Oxepane - Dicarboxylic acid or derivatives - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Secondary alcohol - Ketone - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Oxacycle - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain.

External Descriptors

Not available

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